CID 57829225

6-bromo-2,2-dimethyl-2h-benzo[b][1,4]oxazin-3(4h)-one

Structural Information

Molecular Formula
C10H10BrNO2
SMILES
CC1(C(=O)NC2=C(O1)C=CC(=C2)Br)C
InChI
InChI=1S/C10H10BrNO2/c1-10(2)9(13)12-7-5-6(11)3-4-8(7)14-10/h3-5H,1-2H3,(H,12,13)
InChIKey
CHVWBFMSOWQLGJ-UHFFFAOYSA-N
Compound name
6-bromo-2,2-dimethyl-4H-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

254.98949 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.99677 145.0
[M+Na]+ 277.97871 157.7
[M-H]- 253.98221 150.7
[M+NH4]+ 273.02331 165.9
[M+K]+ 293.95265 147.4
[M+H-H2O]+ 237.98675 145.7
[M+HCOO]- 299.98769 161.0
[M+CH3COO]- 314.00334 188.9
[M+Na-2H]- 275.96416 154.2
[M]+ 254.98894 163.1
[M]- 254.99004 163.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe